(E)-1-(4-bromophenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
Formula:C15H11O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(4-bromophenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(4-bromophenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one |
| MolecularFormula | C15H11O2Br |
| Smiles | Oc1ccc(/C=C/C(c(cc2)ccc2Br)=O)cc1 |
| InChI | InChI=1S/C15H11BrO2/c16-13-6-4-12(5-7-13)15(18)10-3-11-1-8-14(17)9-2-11/h1-10,17H |
| InChIK | RJIFZRQOWIRRNC-UHFFFAOYSA-N |
| TotalMolweight | 303.154 |
| Molweight | 303.154 |
| MonoisotopicMass | 301.994241 |
| CLogP | 3.6833 |
| CLogS | -4.378 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 202.25 |
| Relative PSA | 0.12925 |
| PolarSurfaceArea | 37.3 |
| Druglikeness | -1.6564 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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